5-hydroxy-3-(hydroxymethyl)-4-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-1H-imidazol-2-one

C27H28N4O5 — CID 91280054

IUPAC5-hydroxy-3-(hydroxymethyl)-4-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-1H-imidazol-2-one
SMILESCc1cc(COc2ccc(C3(C)CCN(Cc4c(O)[nH]c(=O)n4CO)C3=O)cc2)c2ccccc2n1
InChIInChI=1S/C27H28N4O5/c1-17-13-18(21-5-3-4-6-22(21)28-17)15-36-20-9-7-19(8-10-20)27(2)11-12-30(25(27)34)14-23-24(33)29-26(35)31(23)16-32/h3-10,13,32-33H,11-12,14-16H2,1-2H3,(H,29,35)
InChIKeyQUTXVFVZDDFLRO-UHFFFAOYSA-N
MW488.54 g/mol
LogP2.96
Rot. Bonds7

About 5-hydroxy-3-(hydroxymethyl)-4-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-1H-imidazol-2-one

5-hydroxy-3-(hydroxymethyl)-4-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-1H-imidazol-2-one (PubChem CID 91280054) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is 5-hydroxy-3-(hydroxymethyl)-4-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-3-(hydroxymethyl)-4-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-1H-imidazol-2-one
PubChem CID91280054
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC Name5-hydroxy-3-(hydroxymethyl)-4-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-1H-imidazol-2-one
SMILESCc1cc(COc2ccc(C3(C)CCN(Cc4c(O)[nH]c(=O)n4CO)C3=O)cc2)c2ccccc2n1
InChIInChI=1S/C27H28N4O5/c1-17-13-18(21-5-3-4-6-22(21)28-17)15-36-20-9-7-19(8-10-20)27(2)11-12-30(25(27)34)14-23-24(33)29-26(35)31(23)16-32/h3-10,13,32-33H,11-12,14-16H2,1-2H3,(H,29,35)
InChIKeyQUTXVFVZDDFLRO-UHFFFAOYSA-N
XLogP2.96
TPSA120.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 10075187
2-amino-N-formyl-2-methyl-3-[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
CID 142872914
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
5-(4-benzylpiperazin-1-yl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione;tris(2,2,2-trifluoroacetic acid)
CID 131725112
4-[(2-methylquinolin-4-yl)methoxy]benzenesulfinic acid
CID 22032785
1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 67562723
1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone
CID 91155062
2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide
CID 91936088
2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide
CID 91218925
[(1S,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(pyrrolidine-1-carbonyl)cyclopropanecarbonyl]azanium
CID 142258946
N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 18379235
(2S,3R)-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxylic acid
CID 25138241

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(hydroxymethyl)-4-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-1H-imidazol-2-one?
The IUPAC name of 5-hydroxy-3-(hydroxymethyl)-4-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-1H-imidazol-2-one (CID 91280054) is 5-hydroxy-3-(hydroxymethyl)-4-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-1H-imidazol-2-one.
What is the SMILES notation for 5-hydroxy-3-(hydroxymethyl)-4-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-1H-imidazol-2-one?
The canonical SMILES for 5-hydroxy-3-(hydroxymethyl)-4-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-1H-imidazol-2-one is Cc1cc(COc2ccc(C3(C)CCN(Cc4c(O)[nH]c(=O)n4CO)C3=O)cc2)c2ccccc2n1.
What is the InChIKey of 5-hydroxy-3-(hydroxymethyl)-4-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-1H-imidazol-2-one?
The InChIKey is QUTXVFVZDDFLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-17-13-18(21-5-3-4-6-22(21)28-17)15-36-20-9-7-19(8-10-20)27(2)11-12-30(25(27)34)14-23-24(33)29-26(35)31(23)16-32/h3-10,13,32-33H,11-12,14-16H2,1-2H3,(H,29,35).
What are the key properties of 5-hydroxy-3-(hydroxymethyl)-4-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-1H-imidazol-2-one?
5-hydroxy-3-(hydroxymethyl)-4-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-1H-imidazol-2-one has a molecular weight of 488.54 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(hydroxymethyl)-4-[[3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]methyl]-1H-imidazol-2-one is sourced from PubChem (CID 91280054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).